CID 163341

Nourseimycin

Structural Information

Molecular Formula
C9H15N3O6
SMILES
C[C@@H](C(=O)OC(=O)[C@H](C1CC(N(C1=O)O)O)N)N
InChI
InChI=1S/C9H15N3O6/c1-3(10)8(15)18-9(16)6(11)4-2-5(13)12(17)7(4)14/h3-6,13,17H,2,10-11H2,1H3/t3-,4?,5?,6-/m0/s1
InChIKey
NTBVVEFUJUCXPF-FYCPLRARSA-N
Compound name
[(2S)-2-amino-2-(1,5-dihydroxy-2-oxopyrrolidin-3-yl)acetyl] (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.0961 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10338 155.4
[M+Na]+ 284.08532 160.0
[M-H]- 260.08882 154.3
[M+NH4]+ 279.12992 169.7
[M+K]+ 300.05926 160.1
[M+H-H2O]+ 244.09336 149.2
[M+HCOO]- 306.09430 172.0
[M+CH3COO]- 320.10995 195.9
[M+Na-2H]- 282.07077 150.9
[M]+ 261.09555 151.3
[M]- 261.09665 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe